2-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole

C11H12N2OS — CID 2937782

IUPAC2-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1ccc(CSc2nnc(C)o2)cc1
InChIInChI=1S/C11H12N2OS/c1-8-3-5-10(6-4-8)7-15-11-13-12-9(2)14-11/h3-6H,7H2,1-2H3
InChIKeyPJIWCZNOBMMQTP-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.98
Rot. Bonds3

About 2-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole

2-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 2937782) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID2937782
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCc1ccc(CSc2nnc(C)o2)cc1
InChIInChI=1S/C11H12N2OS/c1-8-3-5-10(6-4-8)7-15-11-13-12-9(2)14-11/h3-6H,7H2,1-2H3
InChIKeyPJIWCZNOBMMQTP-UHFFFAOYSA-N
XLogP2.98
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoic acid
CID 8708398
2-[(4-bromophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 1309344
2-[(4-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 750581
3-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 9170743
[3-methyl-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]butyl]azanium
CID 4977788
[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 62255617
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]aniline
CID 62254011
2-[(3-methylphenoxy)methyl]-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 84602632
2-[(4-tert-butylphenyl)methylsulfanyl]-5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 52576949
2-methyl-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]butan-1-amine;hydrochloride
CID 16957780
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)ethanone
CID 3993034
2-[(4-methylphenyl)methylsulfanyl]-5-piperidin-4-yl-1,3,4-oxadiazole;hydrochloride
CID 22694265

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole (CID 2937782) is 2-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole is Cc1ccc(CSc2nnc(C)o2)cc1.
What is the InChIKey of 2-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is PJIWCZNOBMMQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-3-5-10(6-4-8)7-15-11-13-12-9(2)14-11/h3-6H,7H2,1-2H3.
What are the key properties of 2-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole?
2-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 220.30 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2937782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).